2-[4-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-(3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[(3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[(4-keto-3-methyl-thieno[2,3-d]pyrimidin-2-yl)thio]butyl]isoindoline-1,3-quinone Formula: C19H17N3O3S2 MolecularWeight: 399.48658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCCCCN3C(=O)C4=CC=CC=C4C3=O)SC=C2

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCCCCN3C(=O)C4=CC=CC=C4C3=O)SC=C2

InChI

InChI=1S/C19H17N3O3S2/c1-21-16(23)14-8-11-26-15(14)20-19(21)27-10-5-4-9-22-17(24)12-6-2-3-7-13(12)18(22)25/h2-3,6-8,11H,4-5,9-10H2,1H3